Simulations of γ-Valerolactone Solvents and Electrolytes for Lithium Batteries Using Polarizable Molecular Dynamics

In this paper, we present a molecular dynamics study of the structural and dynamical properties of γ-valerolactone (GVL) both as a standalone solvent and in electrolyte formulations for electrochemistry applications. This study involves developing a new parameterization of a polarizable forcefield a...

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Detalles Bibliográficos

Principais autores:	Adriano Pierini, Valentina Migliorati, Juan Luis Gómez-Urbano, Andrea Balducci, Sergio Brutti, Enrico Bodo
Formato:	Artigo
Idioma:	Inglês
Publicado:	MDPI AG 2025-01-01
Series:	Molecules
Assuntos:	γ-valerolactone electrolytes lithium batteries molecular dynamics polarizable forcefields
Acceso en liña:	https://www.mdpi.com/1420-3049/30/2/230
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